N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1-quinolyl)butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1-quinolinyl)butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxoquinolin-1-yl)butanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-keto-4-methyl-1-quinolyl)butyramide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C21H18ClN3O2S/c1-3-16(25-17-7-5-4-6-14(17)12(2)10-19(25)26)20(27)24-21-23-15-9-8-13(22)11-18(15)28-21/h4-11,16H,3H2,1-2H3,(H,23,24,27)